methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate

C9H12BrN3O2S — CID 146382334

IUPACmethyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nnc(Br)s2)CC1
InChIInChI=1S/C9H12BrN3O2S/c1-15-7(14)6-2-4-13(5-3-6)9-12-11-8(10)16-9/h6H,2-5H2,1H3
InChIKeyAZAISLGJIUIVIL-UHFFFAOYSA-N
MW306.19 g/mol
LogP1.69
Rot. Bonds2

About methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate

methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate (PubChem CID 146382334) has the molecular formula C9H12BrN3O2S and a molecular weight of 306.19 g/mol. Its IUPAC name is methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
PubChem CID146382334
Molecular FormulaC9H12BrN3O2S
Molecular Weight306.19 g/mol
Exact Mass304.98
IUPAC Namemethyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nnc(Br)s2)CC1
InChIInChI=1S/C9H12BrN3O2S/c1-15-7(14)6-2-4-13(5-3-6)9-12-11-8(10)16-9/h6H,2-5H2,1H3
InChIKeyAZAISLGJIUIVIL-UHFFFAOYSA-N
XLogP1.69
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 64914175
1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane
CID 153404952
N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane
CID 153404964
methyl 1-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 108773415
[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate
CID 170162412
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate
CID 65274693
tert-butyl 4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 156836449
ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 133365960
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 6917210
N-[(5R)-3-(5-bromo-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 153404837
(4-carbamoylphenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 146242125

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate (CID 146382334) is methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2nnc(Br)s2)CC1.
What is the InChIKey of methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate?
The InChIKey is AZAISLGJIUIVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2S/c1-15-7(14)6-2-4-13(5-3-6)9-12-11-8(10)16-9/h6H,2-5H2,1H3.
What are the key properties of methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate?
methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate has a molecular weight of 306.19 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 146382334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).